Chemical Physics
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- 2006
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Mark
The prediction of the nuclear quadrupole splitting of Sn-119 Mossbauer spectroscopy data by scalar relativistic DFT calculations
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- Contribution to journal › Article
- 2005
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Mark
Synthesis and characterization of molybdenum oxo complexes of two tripodal ligands: reactivity studies of a functional model for molybdenum oxotransferases
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- Contribution to journal › Article
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Mark
Spectroscopic properties of the carotenoid 3 '-hydroxyechinenone in the orange carotenoid protein from the cyanobacterium Arthrospira maxima
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- Contribution to journal › Article
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Mark
A 1 : 1 complex between a hydroxyl radical and ozone
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- Contribution to journal › Letter
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Mark
Surface-induced C–O bond anharmonicity of methoxy adsorbed on Cu(100): Experiments and density-functional theory calculations
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- Contribution to journal › Article
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Mark
Dithiolate complexes of manganese and rhenium: X-ray structure and properties of an unusual mixed valence cluster Mn-3(CO)(6)(mu-eta(2)-SCH2CH2CH2S)(3)
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- Contribution to journal › Article
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Mark
Exciton migration in a polythiophene: Probing the spatial and energy domain by line-dipole Forster-type energy transfer
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- Contribution to journal › Article
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Mark
Optical properties of low band gap alternating copolyfluorenes for photovoltaic devices
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- Contribution to journal › Article
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Mark
High carrier mobility in low band gap polymer-based field-effect transistors
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- Contribution to journal › Article
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Mark
New general tools for constrained geometry optimizations
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- Contribution to journal › Article